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GLASS

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GPCR

Name	Neuropeptide S receptor
Species	Homo sapiens (Human)
Gene	NPSR1
Synonym	G-protein coupled receptor for asthma susceptibility vasopressin receptor-related receptor 1 G protein-coupled receptor 154 PGR14 NPS receptor G-protein coupled receptor 154 GPR154 G-protein coupled receptor PGR14 VRR1 [ Show all ]
Disease	Neurological disease
Length	371
Amino acid sequence	MPANFTEGSFDSSGTGQTLDSSPVACTETVTFTEVVEGKEWGSFYYSFKTEQLITLWVLFVFTIVGNSVVLFSTWRRKKKSRMTFFVTQLAITDSFTGLVNILTDINWRFTGDFTAPDLVCRVVRYLQVVLLYASTYVLVSLSIDRYHAIVYPMKFLQGEKQARVLIVIAWSLSFLFSIPTLIIFGKRTLSNGEVQCWALWPDDSYWTPYMTIVAFLVYFIPLTIISIMYGIVIRTIWIKSKTYETVISNCSDGKLCSSYNRGLISKAKIKAIKYSIIIILAFICCWSPYFLFDILDNFNLLPDTQERFYASVIIQNLPALNSAINPLIYCVFSSSISFPCREQRSQDSRMTFRERTERHEMQILSKPEFI
UniProt	Q6W5P4
Protein Data Bank	N/A
GPCR-HGmod model	Q6W5P4
3D structure model	This predicted structure model is from GPCR-EXP Q6W5P4.
BioLiP	N/A
Therapeutic Target Database	T20958
ChEMBL	CHEMBL5162
IUPHAR	302
DrugBank	BE0000948

Ligand

Name	N-Methyldopamine hydrochloride
Molecular formula	C9H14ClNO2
IUPAC name	4-[2-(methylamino)ethyl]benzene-1,2-diol;hydrochloride
Molecular weight	203.666
Hydrogen bond acceptor	3
Hydrogen bond donor	4
XlogP	None
Synonyms	ZX-AT001333 4-[2-(methylamino)ethyl]-1,2-benzenediol hydrochloride AC1L3BMB CHEMBL1256484 DTXSID90211027 JCDRZCWRRLKLTB-UHFFFAOYSA-N Methyldopamine hydrochloride N-methyl dopamine hydrochloride NSC-294897 SMR000326768 1,2-Benzenediol, 4-[2-(methylamino)ethyl]-hydrochloride 3,4-Dihydroxyphenylethylmethyamine hydrochloride 4-[2-(methylamino)ethyl]benzene-1,2-diol, chloride ANW-74853 DB-001742 EPININE HCl LP00390 MLS000859907 N-Methyldopamine HCl PS-8162 TC-163598 WLN: QR BQ D2M1 &GH 4-(2-Methylaminoethyl)pyrocatechol hydrochloride 62-32-8 CCG-221694 Deoxyepinephrine hydrochloride EU-0100390 Methyl-[.beta.-(3,4-dihydroxyphenyl)ethyl]amine hydrochloride MolPort-001-757-325 NCGC00261075-01 SBB093199 1,2-Benzenediol, 4-(2-(methylamino)ethyl)-, hydrochloride 4-[2-(Methylamino)ethyl]benzene-1,2-diol hydrochlorid AC1Q3F7D CTK8C5228 EINECS 200-528-3 KB-58534 Methyl[b-(3,4-dihydroxyphenyl) ethyl] amine N-Methyl Dopamine Hydrochlorie NSC294897 SR-01000075369 3,4-Dihydroxyphenethylmethylammonium chloride 3,4-Dihydroxyphenylethylmethylamine hydrochloride 4-[2-(methylamino)ethyl]benzene-1,2-diol,hydrochloride AX8145089 Deoxy Epinephrine Epinine hydrochloride LS-136446 MLS001332603 Pyrocatechol, 4-(2-(methylamino)ethyl)-, hydrochloride Tox21_500390 ZV3MG8PAX3 4-[2-(Methylamino)ethyl]-1,2-benzenediol AC-20364 Deoxyepinephrine hydrochloride crystalline FT-0650241 Methyldopamine HCl MTB0000346 NSC 294897 SCHEMBL1320882 1,2-Benzenediol, 4-(2-(methylamino)ethyl)-, hydrochloride (9CI) 3,4-Dihydroxyphenyl-1-methylamino-2-ethane hydrochloride 4-[2-(methylamino)ethyl]benzene-1,2-diol hydrochloride AKOS015965249 D 5886 Ephinine hydrochloride KM0599 MFCD00035074 N-Methyl-3,4-hydroxyphenethylamine hydrochloride OR1575 SR-01000075369-1 4-(2-(Methylamino)ethyl)benzene-1,2-diol hydrochloride 4-[2-(Methylamino)ethyl]pyrocatechol C-45961 deoxyepinephrine Epinine hydrochloride; Deoxyepinephrine hydrochloride Methyl-(beta-(3,4-dihydroxyphenyl)ethyl)amine hydrochloride MLS001332604 NCGC00093818-01 Pyrocatechol, 4-[2-(methylamino)ethyl]-, hydrochloride 1, 4-[2-(methylamino)ethyl]-, hydrochloride UNII-ZV3MG8PAX3 [ Show all ]
Inchi Key	JCDRZCWRRLKLTB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H13NO2.ClH/c1-10-5-4-7-2-3-8(11)9(12)6-7;/h2-3,6,10-12H,4-5H2,1H3;1H
PubChem CID	86470
ChEMBL	CHEMBL1256484
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Potency	25118.9 nM	PubChem BioAssay data set	ChEMBL

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